SCHEMBL2826592

SCHEMBL2826592

COc1ccc(OC)c(CC(=O)NN)c1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.67
MEN1 O00255 1/20 0.63
KMT2A Q03164 1/20 0.63
GLS O94925 1/20 0.54
MAPK8 P45983 2/20 0.53
MAPK9 P45984 1/20 0.53
IDO1 P14902 2/20 0.53
ADRA1A P35348 1/20 0.53
TAAR1 Q96RJ0 1/20 0.53
MTNR1A P48039 1/20 0.52
MTNR1B P49286 1/20 0.52
PLA2G2A P14555 1/20 0.51
SIGMAR1 Q99720 1/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6868625 0.88 MEN1 (0.63) HSD17B10MEN1KMT2APLA2G2A
SCHEMBL13485784 0.86 HSD17B10 (0.69) HSD17B10MEN1KMT2AGLSMAPK8
SCHEMBL4405092 0.84 HSD17B10 (0.46) HSD17B10MEN1KMT2AMAPK8MAPK9
SCHEMBL6500250 0.84 HSD17B10 (0.67) HSD17B10MEN1KMT2AGLSMAPK8
SCHEMBL4405083 0.84 PLA2G2A (0.51) HSD17B10MEN1KMT2AMAPK8MAPK9
SCHEMBL17993524 0.82 HSD17B10 (0.60) HSD17B10MEN1KMT2AGLSMAPK8
SCHEMBL1032357 0.82 HSD17B10 (0.73) HSD17B10MEN1KMT2AIDO1ADRA1A
SCHEMBL30104106 0.82 HSD17B10 (0.73) HSD17B10MEN1KMT2AGLSIDO1
SCHEMBL4981706 0.82 HSD17B10 (0.73) HSD17B10MEN1KMT2AGLSIDO1
SCHEMBL19427715 0.82 HSD17B10 (0.63) HSD17B10MEN1KMT2AGLSMAPK8

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1937688-B1 IMIDAZO BENZODIAZEPINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-08-11 EP disclosed
US-7507729-B2 for the treatment of cognitive disorders, anxiety, schizophrenia, and Alzheimer's disease; ligands; GABA A alpha 5 receptor inhibitors; 3-bromo-10-chloro-6-(2-oxo-pyrrolidin-1-ylmethyl)-9H-imidazo[1,5-a][1,2,4]triazolo[1,5-d][1,4]benzodiazepine HOFFMANN-LA ROCHE INC. (US) 2009-03-24 US disclosed
EP-1937688-A1 IMIDAZO BENZODIAZEPINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-07-02 EP disclosed
WO-2007042421-A1 IMIDAZO BENZODIAZEPINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-04-19 WO disclosed
US-20070082890-A1 Substituted imidazo-[1,5-a][1,2,4]triazolo[1,5-d][1,4] benzodiazepine derivatives BANK OF AMERICA, N.A., AS ADMINISTRATIVE AGENT 2007-04-12 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070082890-A1 Substituted imidazo-[1,5-a][1,2,4]triazolo[1,5-d][1,4] benzodiazepine derivatives GABRA5, GABRA1, GABRA4 HSD17B10 1490/4885MEN1 4155/4885KMT2A 1642/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.